4-(2-phenyl-1,3-oxazol-4-yl)benzonitrile

C16H10N2O — CID 58119309

IUPAC4-(2-phenyl-1,3-oxazol-4-yl)benzonitrile
SMILESN#Cc1ccc(-c2coc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H10N2O/c17-10-12-6-8-13(9-7-12)15-11-19-16(18-15)14-4-2-1-3-5-14/h1-9,11H
InChIKeyDLZBASAAKFLHNH-UHFFFAOYSA-N
MW246.27 g/mol
LogP3.88
Rot. Bonds2

About 4-(2-phenyl-1,3-oxazol-4-yl)benzonitrile

4-(2-phenyl-1,3-oxazol-4-yl)benzonitrile (PubChem CID 58119309) has the molecular formula C16H10N2O and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-(2-phenyl-1,3-oxazol-4-yl)benzonitrile.

Molecular Properties

Compound Name4-(2-phenyl-1,3-oxazol-4-yl)benzonitrile
PubChem CID58119309
Molecular FormulaC16H10N2O
Molecular Weight246.27 g/mol
Exact Mass246.08
IUPAC Name4-(2-phenyl-1,3-oxazol-4-yl)benzonitrile
SMILESN#Cc1ccc(-c2coc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H10N2O/c17-10-12-6-8-13(9-7-12)15-11-19-16(18-15)14-4-2-1-3-5-14/h1-9,11H
InChIKeyDLZBASAAKFLHNH-UHFFFAOYSA-N
XLogP3.88
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenyl-1,3-oxazol-4-yl)benzonitrile?
The IUPAC name of 4-(2-phenyl-1,3-oxazol-4-yl)benzonitrile (CID 58119309) is 4-(2-phenyl-1,3-oxazol-4-yl)benzonitrile.
What is the SMILES notation for 4-(2-phenyl-1,3-oxazol-4-yl)benzonitrile?
The canonical SMILES for 4-(2-phenyl-1,3-oxazol-4-yl)benzonitrile is N#Cc1ccc(-c2coc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(2-phenyl-1,3-oxazol-4-yl)benzonitrile?
The InChIKey is DLZBASAAKFLHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O/c17-10-12-6-8-13(9-7-12)15-11-19-16(18-15)14-4-2-1-3-5-14/h1-9,11H.
What are the key properties of 4-(2-phenyl-1,3-oxazol-4-yl)benzonitrile?
4-(2-phenyl-1,3-oxazol-4-yl)benzonitrile has a molecular weight of 246.27 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenyl-1,3-oxazol-4-yl)benzonitrile is sourced from PubChem (CID 58119309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).